Basic information
- CAS
92021-81-3- Standard SMILES
CCOC(=O)C(c1ccc(C)c(C)c1)C(Cl)(Cl)Cl- InChIKey
ONIROLQWLUGNKE-UHFFFAOYSA-N- Molecular formula
- C13H15Cl3O2
- Average molar mass
- 309.6 g/mol
- Monoisotopic mass
- 308.013763
Names & identifiers
- Preferred name
- Ethyl 3,3,3-trichloro-2-(3,4-dimethylphenyl)propanoate
- IUPAC
- ethyl 3,3,3-trichloro-2-(3,4-dimethylphenyl)propanoate
Names & synonyms
92021-81-3ethyl 3,3,3-trichloro-2-(3,4-dimethylphenyl)propanoateNSC97632DTXSID80294682NSC-97632
Database identifiers
- CAS
92021-81-3- PubChem CID
- 263248
- DTXSID
DTXSID80294682
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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